N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide

C11H14BrClN2OS — CID 91434357

IUPACN-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide
SMILESC=C(NS(=O)C(C)(C)C)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2OS/c1-7(15-17(16)11(2,3)4)9-5-8(12)6-14-10(9)13/h5-6,15H,1H2,2-4H3
InChIKeyCVEDMPUDVSLGOD-UHFFFAOYSA-N
MW337.67 g/mol
LogP3.52
Rot. Bonds3

About N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide

N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide (PubChem CID 91434357) has the molecular formula C11H14BrClN2OS and a molecular weight of 337.67 g/mol. Its IUPAC name is N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide
PubChem CID91434357
Molecular FormulaC11H14BrClN2OS
Molecular Weight337.67 g/mol
Exact Mass335.97
IUPAC NameN-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide
SMILESC=C(NS(=O)C(C)(C)C)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2OS/c1-7(15-17(16)11(2,3)4)9-5-8(12)6-14-10(9)13/h5-6,15H,1H2,2-4H3
InChIKeyCVEDMPUDVSLGOD-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.67
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide (CID 91434357) is N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide is C=C(NS(=O)C(C)(C)C)c1cc(Br)cnc1Cl.
What is the InChIKey of N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CVEDMPUDVSLGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2OS/c1-7(15-17(16)11(2,3)4)9-5-8(12)6-14-10(9)13/h5-6,15H,1H2,2-4H3.
What are the key properties of N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide?
N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide has a molecular weight of 337.67 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 91434357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).